Information card for entry 4300630

Structure parameters

• Formula: C30 H22 N2 O4
• Calculated formula: C30 H22 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC(=O)c1c(cc(cc1c1ccccc1)C(=O)O)c1ccccc1
• Title of publication: Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid
• Authors of publication: Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1646 - 1655
• a: 10.455 ± 0.0002 Å
• b: 13.391 ± 0.0003 Å
• c: 19.053 ± 0.0005 Å
• α: 90°
• β: 116.673 ± 0.0008°
• γ: 90°
• Cell volume: 2383.61 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No